(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide

C20H19ClFN3O3 — CID 86950286

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1cc(F)c(C(C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC
InChIInChI=1S/C20H19ClFN3O3/c1-12(13-10-16(27-2)17(28-3)11-14(13)22)23-19(26)8-7-15-20(21)24-18-6-4-5-9-25(15)18/h4-12H,1-3H3,(H,23,26)/b8-7+
InChIKeyGUZOKJNDNDKQDY-BQYQJAHWSA-N
MW403.84 g/mol
LogP4.03
Rot. Bonds6

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 86950286) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
PubChem CID86950286
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1cc(F)c(C(C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC
InChIInChI=1S/C20H19ClFN3O3/c1-12(13-10-16(27-2)17(28-3)11-14(13)22)23-19(26)8-7-15-20(21)24-18-6-4-5-9-25(15)18/h4-12H,1-3H3,(H,23,26)/b8-7+
InChIKeyGUZOKJNDNDKQDY-BQYQJAHWSA-N
XLogP4.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262908
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262904
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9410017
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
methyl 2-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-4-methylpentanoate
CID 51162364
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-enamide
CID 103599710
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 99140772
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide
CID 86948427
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 102603263

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide (CID 86950286) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide is COc1cc(F)c(C(C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is GUZOKJNDNDKQDY-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-12(13-10-16(27-2)17(28-3)11-14(13)22)23-19(26)8-7-15-20(21)24-18-6-4-5-9-25(15)18/h4-12H,1-3H3,(H,23,26)/b8-7+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 403.84 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 86950286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).